7-(3-methoxypropyl)-3-(phenylmethyl)-8-pyridin-2-yl-purine-2,6-dione

Systemtic Name: 7-(3-methoxypropyl)-3-(phenylmethyl)-8-pyridin-2-yl-purine-2,6-dione Openeye Name: 3-benzyl-7-(3-methoxypropyl)-8-(2-pyridyl)purine-2,6-dione CAS Name: 7-(3-methoxypropyl)-3-(phenylmethyl)-8-(2-pyridinyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(3-methoxypropyl)-8-pyridin-2-ylpurine-2,6-dione Traditional Name: 3-benzyl-7-(3-methoxypropyl)-8-(2-pyridyl)xanthine Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(N=C1C3=CC=CC=N3)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

COCCCN1C2=C(N=C1C3=CC=CC=N3)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c1-29-13-7-12-25-17-19(23-18(25)16-10-5-6-11-22-16)26(21(28)24-20(17)27)14-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3,(H,24,27,28)